CID 96769

38288-33-4

Structural Information

Molecular Formula
C16H10O4
SMILES
C1OC2=C(O1)C=C3C4=CC=CC=C4C(=CC3=C2)C(=O)O
InChI
InChI=1S/C16H10O4/c17-16(18)13-5-9-6-14-15(20-8-19-14)7-12(9)10-3-1-2-4-11(10)13/h1-7H,8H2,(H,17,18)
InChIKey
GNWWDKHZJOUXAD-UHFFFAOYSA-N
Compound name
naphtho[2,1-f][1,3]benzodioxole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05792 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 153.7
[M+Na]+ 289.04714 164.3
[M-H]- 265.05064 161.0
[M+NH4]+ 284.09174 171.9
[M+K]+ 305.02108 162.2
[M+H-H2O]+ 249.05518 148.0
[M+HCOO]- 311.05612 172.6
[M+CH3COO]- 325.07177 167.2
[M+Na-2H]- 287.03259 162.2
[M]+ 266.05737 158.1
[M]- 266.05847 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.